Literature DB >> 28468501

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity.

Aron Walsh1, Alexey A Sokol2, John Buckeridge2, David O Scanlon2,3, C Richard A Catlow2.   

Abstract

Year:  2017        PMID: 28468501     DOI: 10.1021/acs.jpclett.7b00809

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN: 1948-7185            Impact factor:   6.475


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  3 in total

Review 1.  Big-Data Science in Porous Materials: Materials Genomics and Machine Learning.

Authors:  Kevin Maik Jablonka; Daniele Ongari; Seyed Mohamad Moosavi; Berend Smit
Journal:  Chem Rev       Date:  2020-06-10       Impact factor: 60.622

2.  Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks.

Authors:  Kevin Maik Jablonka; Daniele Ongari; Seyed Mohamad Moosavi; Berend Smit
Journal:  Nat Chem       Date:  2021-07-05       Impact factor: 24.427

3.  Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

Authors:  Martí Gimferrer; Gerard Comas-Vilà; Pedro Salvador
Journal:  Molecules       Date:  2020-01-06       Impact factor: 4.411

  3 in total

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